Changeset 9e4655 for src

Timestamp:

Sep 19, 2013, 8:23:53 PM (11 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

893426

Parents:

f6ff216

git-author:

Frederik Heber <heber@…> (08/26/13 08:36:16)

git-committer:

Frederik Heber <heber@…> (09/19/13 20:23:53)

Message:

Added sessiontype option to StoreSessionAction.

• added SessionTypeValidator to allow only specified types: cli, python.

Location:

src

Files:

• Actions/ActionQueue.cpp (modified) (2 diffs)
• Actions/CommandAction/StoreSessionAction.cpp (modified) (1 diff)
• Actions/CommandAction/StoreSessionAction.def (modified) (1 diff)
• Parameters/Makefile.am (modified) (2 diffs)
• Parameters/Validators/Specific/SessionTypeValidator.cpp (added)
• Parameters/Validators/Specific/SessionTypeValidator.hpp (added)

src/Actions/ActionQueue.cpp

@@ -110 +110 @@
   const std::string prefix("pyMoleCuilder");
   output << "import " << prefix << std::endl;
-  output << "% ========================== Stored Session BEGIN ==========================" << std::endl;
+  output << "# ========================== Stored Session BEGIN ==========================" << std::endl;
   for (ActionQueue_t::const_iterator iter = queue.begin();
       iter != queue.end();
@@ -118 +118 @@
       (*iter)->outputAsPython(output, prefix);
   }
-  output << "% =========================== Stored Session END ===========================" << std::endl;
+  output << "# =========================== Stored Session END ===========================" << std::endl;
 }
 

src/Actions/CommandAction/StoreSessionAction.cpp

@@ -52 +52 @@
   LOG(1, "INFO: Storing session to file " << params.filename.get().string());
 
-  std::ofstream output(params.filename.get().string().c_str(), std::fstream::app);
-  ActionQueue::getInstance().outputAsCLI(output);
-  output.close();
+  std::string filename(params.filename.get().string());
+  if (params.sessiontype.get() == "cli") {
+    // open in append mode as we don't have argv[0] available here
+    std::ofstream output(filename.c_str(), std::fstream::app);
+    ActionQueue::getInstance().outputAsCLI(output);
+    output.close();
+  } else if (params.sessiontype.get() == "python") {
+    // open in overwrite mode, as we write full python script
+    std::ofstream output(filename.c_str());
+    ActionQueue::getInstance().outputAsPython(output);
+    output.close();
+  } else
+    ASSERT(0, "CommandStoreSessionAction::performCall() - unknown session type "
+        +params.sessiontype.get()+".");
 
   return Action::success;

src/Actions/CommandAction/StoreSessionAction.def

@@ -8 +8 @@
 // all includes and forward declarations necessary for non-integral types below
 #include <boost/filesystem/path.hpp>
+#include <string>
 
 #include "Parameters/Validators/DummyValidator.hpp"
+#include "Parameters/Validators/Specific/SessionTypeValidator.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
-#define paramtypes (boost::filesystem::path)
-#define paramtokens ("store-session")
-#define paramdescriptions ("filename to store session to")
-#undef paramdefaults
-#define paramreferences (filename)
+#define paramtypes (boost::filesystem::path)(std::string)
+#define paramtokens ("store-session")("session-type")
+#define paramdescriptions ("filename to store session to")("what file type of session to store")
+#define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT("cli"))
+#define paramreferences (filename)(sessiontype)
 #define paramvalids \
-(DummyValidator< boost::filesystem::path >())
+(DummyValidator< boost::filesystem::path >()) \
+(SessionTypeValidator())
 
 #define statetypes (unsigned int)

src/Parameters/Makefile.am

@@ -19 +19 @@
         Parameters/Validators/Specific/RealSpaceMatrixInvertibleValidator.cpp \
         Parameters/Validators/Specific/RealSpaceMatrixSymmetricValidator.cpp \
+        Parameters/Validators/Specific/SessionTypeValidator.cpp \
         Parameters/Validators/Specific/ShapeNameValidator.cpp \
         Parameters/Validators/Specific/ShapeOpValidator.cpp \
@@ -63 +64 @@
         Parameters/Validators/Specific/RealSpaceMatrixSymmetricValidator.hpp \
         Parameters/Validators/Specific/RotationAngleValidator.hpp \
+        Parameters/Validators/Specific/SessionTypeValidator.hpp \
         Parameters/Validators/Specific/ShapeNameValidator.hpp \
         Parameters/Validators/Specific/ShapeOpValidator.hpp \